CHEBI:231027 - PG(18:3(6Z,9Z,12Z)/20:3(6,8,11)-OH(5))

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ChEBI Name PG(18:3(6Z,9Z,12Z)/20:3(6,8,11)-OH(5))
ChEBI ID CHEBI:231027
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H75O11P
Net Charge 0
Average Mass 811.047
Monoisotopic Mass 810.50470
InChI InChI=1S/C44H75O11P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-43(48)52-38-42(39-54-56(50,51)53-37-41(47)36-45)55-44(49)35-31-33-40(46)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24-25,27,29,32,40-42,45-47H,3-10,12,14-16,20,23,26,28,30-31,33-39H2,1-2H3,(H,50,51)/b13-11-,18-17-,21-19+,24-22-,27-25+,32-29+/t40?,41-,42+/m0/s1
InChIKey LEXWEAWSAMQPDL-UOOLCARQSA-N
SMILES P(OC[C@H](OC(=O)CCCC(O)/C=C/C=C/C\C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PG(18:3(6Z,9Z,12Z)/20:3(6,8,11)-OH(5)) (CHEBI:231027) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
Manual Xrefs Databases
117224256 ChemSpider
HMDB0269381 HMDB
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